# generated using pymatgen
data_NiB12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40767778
_cell_length_b   7.40767778
_cell_length_c   7.40767778
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiB12
_chemical_formula_sum   'Ni4 B48'
_cell_volume   406.48661480
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni1  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni2  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni3  1  0.50000000  0.50000000  0.00000000  1
  B  B4  1  0.16981600  0.16981600  0.50000000  1
  B  B5  1  0.16981600  0.00000000  0.33018400  1
  B  B6  1  0.00000000  0.16981600  0.33018400  1
  B  B7  1  0.16981600  0.83018400  0.50000000  1
  B  B8  1  0.16981600  0.00000000  0.66981600  1
  B  B9  1  0.00000000  0.83018400  0.66981600  1
  B  B10  1  0.33018400  0.16981600  0.00000000  1
  B  B11  1  0.33018400  0.00000000  0.16981600  1
  B  B12  1  0.00000000  0.16981600  0.66981600  1
  B  B13  1  0.33018400  0.83018400  0.00000000  1
  B  B14  1  0.33018400  0.00000000  0.83018400  1
  B  B15  1  0.00000000  0.83018400  0.33018400  1
  B  B16  1  0.16981600  0.66981600  0.00000000  1
  B  B17  1  0.16981600  0.50000000  0.83018400  1
  B  B18  1  0.00000000  0.66981600  0.83018400  1
  B  B19  1  0.16981600  0.33018400  0.00000000  1
  B  B20  1  0.16981600  0.50000000  0.16981600  1
  B  B21  1  0.00000000  0.33018400  0.16981600  1
  B  B22  1  0.33018400  0.66981600  0.50000000  1
  B  B23  1  0.33018400  0.50000000  0.66981600  1
  B  B24  1  0.00000000  0.66981600  0.16981600  1
  B  B25  1  0.33018400  0.33018400  0.50000000  1
  B  B26  1  0.33018400  0.50000000  0.33018400  1
  B  B27  1  0.00000000  0.33018400  0.83018400  1
  B  B28  1  0.66981600  0.16981600  0.00000000  1
  B  B29  1  0.66981600  0.00000000  0.83018400  1
  B  B30  1  0.50000000  0.16981600  0.83018400  1
  B  B31  1  0.66981600  0.83018400  0.00000000  1
  B  B32  1  0.66981600  0.00000000  0.16981600  1
  B  B33  1  0.50000000  0.83018400  0.16981600  1
  B  B34  1  0.83018400  0.16981600  0.50000000  1
  B  B35  1  0.83018400  0.00000000  0.66981600  1
  B  B36  1  0.50000000  0.16981600  0.16981600  1
  B  B37  1  0.83018400  0.83018400  0.50000000  1
  B  B38  1  0.83018400  0.00000000  0.33018400  1
  B  B39  1  0.50000000  0.83018400  0.83018400  1
  B  B40  1  0.66981600  0.66981600  0.50000000  1
  B  B41  1  0.66981600  0.50000000  0.33018400  1
  B  B42  1  0.50000000  0.66981600  0.33018400  1
  B  B43  1  0.66981600  0.33018400  0.50000000  1
  B  B44  1  0.66981600  0.50000000  0.66981600  1
  B  B45  1  0.50000000  0.33018400  0.66981600  1
  B  B46  1  0.83018400  0.66981600  0.00000000  1
  B  B47  1  0.83018400  0.50000000  0.16981600  1
  B  B48  1  0.50000000  0.66981600  0.66981600  1
  B  B49  1  0.83018400  0.33018400  0.00000000  1
  B  B50  1  0.83018400  0.50000000  0.83018400  1
  B  B51  1  0.50000000  0.33018400  0.33018400  1
